(2E)-2-ethylidenethiolane 1-oxide

C6H10OS — CID 6421279

IUPAC(2E)-2-ethylidenethiolane 1-oxide
SMILESC/C=C1\CCCS1=O
InChIInChI=1S/C6H10OS/c1-2-6-4-3-5-8(6)7/h2H,3-5H2,1H3/b6-2+
InChIKeyGCRXSSUZAVNIQM-QHHAFSJGSA-N
MW130.21 g/mol
LogP1.43
Rot. Bonds

About (2E)-2-ethylidenethiolane 1-oxide

(2E)-2-ethylidenethiolane 1-oxide (PubChem CID 6421279) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2E)-2-ethylidenethiolane 1-oxide.

Molecular Properties

Compound Name(2E)-2-ethylidenethiolane 1-oxide
PubChem CID6421279
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2E)-2-ethylidenethiolane 1-oxide
SMILESC/C=C1\CCCS1=O
InChIInChI=1S/C6H10OS/c1-2-6-4-3-5-8(6)7/h2H,3-5H2,1H3/b6-2+
InChIKeyGCRXSSUZAVNIQM-QHHAFSJGSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Methyl-2,3,4,5-tetrahydrothiepine 1-oxide
CID 12738409
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
2,5-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 13441953
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
7-Thiabicyclo[2.2.1]hept-2-en-7-oxide
CID 102085472
7lambda4-Thiabicyclo[2.2.1]hept-1-ene 7-oxide
CID 123384503
Butylthiosulfolene
CID 129790363
trans-2-Allyl-5-methyl-3-sulfolene
CID 129804470
2-(2-Butenyl)-3-sulfolene
CID 129804498
2,5-Dimethyl-2,5-dihydrothiophene 1-oxide
CID 134926177
(R,S)-2-Propyl-2,5-dihydro-thiophene 1,1-dioxide
CID 15984705
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
CID 10749998

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenethiolane 1-oxide?
The IUPAC name of (2E)-2-ethylidenethiolane 1-oxide (CID 6421279) is (2E)-2-ethylidenethiolane 1-oxide.
What is the SMILES notation for (2E)-2-ethylidenethiolane 1-oxide?
The canonical SMILES for (2E)-2-ethylidenethiolane 1-oxide is C/C=C1\CCCS1=O.
What is the InChIKey of (2E)-2-ethylidenethiolane 1-oxide?
The InChIKey is GCRXSSUZAVNIQM-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-4-3-5-8(6)7/h2H,3-5H2,1H3/b6-2+.
What are the key properties of (2E)-2-ethylidenethiolane 1-oxide?
(2E)-2-ethylidenethiolane 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenethiolane 1-oxide is sourced from PubChem (CID 6421279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).